2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide

C25H26N4O4 — CID 68797075

About 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide

2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide (PubChem CID 68797075) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide.

Molecular Properties

• Compound Name: 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide
• PubChem CID: 68797075
• Molecular Formula: C25H26N4O4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.20
• IUPAC Name: 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide
• SMILES: CCc1ccc(N2C[C@@H](CC(=Cc3ccnc4ccc(OC)nc34)C(=O)NC)OC2=O)cc1
• InChI: InChI=1S/C25H26N4O4/c1-4-16-5-7-19(8-6-16)29-15-20(33-25(29)31)14-18(24(30)26-2)13-17-11-12-27-21-9-10-22(32-3)28-23(17)21/h5-13,20H,4,14-15H2,1-3H3,(H,26,30)/t20-/m1/s1
• InChIKey: KKIPUSVRUJJXAL-HXUWFJFHSA-N
• XLogP: 3.75
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?

The IUPAC name of 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide (CID 68797075) is 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide.

What is the SMILES notation for 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?

The canonical SMILES for 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide is CCc1ccc(N2C[C@@H](CC(=Cc3ccnc4ccc(OC)nc34)C(=O)NC)OC2=O)cc1.

What is the InChIKey of 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?

The InChIKey is KKIPUSVRUJJXAL-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-4-16-5-7-19(8-6-16)29-15-20(33-25(29)31)14-18(24(30)26-2)13-17-11-12-27-21-9-10-22(32-3)28-23(17)21/h5-13,20H,4,14-15H2,1-3H3,(H,26,30)/t20-/m1/s1.

What are the key properties of 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?

2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide has a molecular weight of 446.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 68797075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).